SCHEMBL2800044

SCHEMBL2800044

Cc1cccc(-n2cc(-c3ccc(F)cc3)c3c(N)ncnc32)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 12/20 0.60
EGFR P00533 10/20 0.60
ABL1 P00519 7/20 0.60
ABL2 P42684 7/20 0.60
CDK1 P06493 6/20 0.60
KDR P35968 6/20 0.60
LMNA P02545 5/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
CSK P41240 1/20 0.52
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2783292 0.86 SRC (0.60) SRCLMNAMAPTKMT2AKDM4E
SCHEMBL2783182 0.86 LMNA (0.55) SRCEGFRABL1ABL2CDK1
SCHEMBL7842356 0.86 SRC (0.82) SRCEGFRABL1ABL2CDK1
SCHEMBL7843429 0.84 SRC (0.70) SRCEGFRABL1ABL2CDK1
SCHEMBL2784114 0.84 LMNA (0.48) SRCEGFRABL1ABL2CDK1
SCHEMBL7847666 0.83 SRC (0.62) SRCEGFRABL1ABL2CDK1
SCHEMBL2782773 0.82 LMNA (0.61) SRCEGFRLMNAMAPTKMT2A
SCHEMBL2784322 0.80 LMNA (0.49) SRCLMNAMAPTKMT2AKDM4E
SCHEMBL20911902 0.80 MAPT (0.83) SRCLMNAMAPTKMT2AKDM4E
SCHEMBL2785296 0.79 LMNA (0.58) SRCEGFRLMNAMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS DILLON MICHAEL PATRICK 2010-06-10 US claimed
WO-2010066629-A2 NOVEL AZAINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 WO disclosed
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS DILLON MICHAEL PATRICK 2010-06-10 US disclosed
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS DILLON MICHAEL PATRICK 2010-06-10 US disclosed
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS DILLON MICHAEL PATRICK 2010-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144758-A1 AZAINDOLE P2X3 AND P2X2/3 MODULATORS P2RX3, P2RX2, P2RX7 SRC 2083/4885EGFR 3044/4885ABL1 1269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.